Bioactive Compounds
Drug-like bioactive compounds for NAFLD-related targets (i.e., therapeutic targets in NAFLDkb) are extracted from ChEMBL. Detailed information and structure for each compound are provided, along with knowledge graphs linked with related therapeutic targets.
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147604 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B141301 | CHEMBL4776500 | -- | -- | 441.96 | C24H28ClN3O3 | NEUTRAL | Details |
| B141302 | CHEMBL477659 | Small molecule | -- | 448.5 | C23H20N4O4S | NEUTRAL | Details |
| B141303 | CHEMBL4776637 | -- | -- | 323.36 | C16H17N7O | NEUTRAL | Details |
| B141304 | CHEMBL477690 | Small molecule | -- | 415.49 | C25H25N3O3 | ACID | Details |
| B141305 | CHEMBL4776913 | -- | -- | 531.63 | C29H29N3O5S | NEUTRAL | Details |
| B141306 | CHEMBL4776950 | -- | -- | 473.96 | C23H28ClN5O4 | NEUTRAL | Details |
| B141307 | CHEMBL4776983 | -- | -- | 295.81 | C15H22ClN3O | NEUTRAL | Details |
| B141308 | CHEMBL4776997 | -- | -- | 442.52 | C27H26N2O4 | NEUTRAL | Details |
| B141309 | CHEMBL4777068 | -- | -- | 509.61 | C30H31N5O3 | NEUTRAL | Details |
| B141310 | CHEMBL4777073 | -- | -- | 279.81 | C15H22ClN3 | BASE | Details |
| B141311 | CHEMBL4777088 | -- | -- | 559.43 | C27H25Cl2FN4O4 | ACID | Details |
| B141312 | CHEMBL4777090 | -- | -- | 537.66 | C32H35N5O3 | NEUTRAL | Details |
| B141313 | CHEMBL4777142 | -- | -- | 432.95 | C25H25ClN4O | NEUTRAL | Details |
| B141314 | CHEMBL4777204 | -- | -- | 420.27 | C17H18BrN5O3 | NEUTRAL | Details |
| B141315 | CHEMBL4777223 | -- | -- | 472.54 | C24H32N4O6 | NEUTRAL | Details |
| B141316 | CHEMBL4777228 | -- | -- | 502.55 | C23H26N4O7S | NEUTRAL | Details |
| B141317 | CHEMBL4777342 | -- | -- | 418.79 | C18H13ClF2N6O2 | NEUTRAL | Details |
| B141318 | CHEMBL4777434 | -- | -- | 529.04 | C30H29ClN4O3 | NEUTRAL | Details |
| B141319 | CHEMBL4777447 | -- | -- | 494.93 | C25H21ClF2N6O | NEUTRAL | Details |
| B141320 | CHEMBL4777656 | -- | -- | 280.8 | C14H21ClN4 | NEUTRAL | Details |
| B141321 | CHEMBL4777684 | -- | -- | 516.65 | C29H36N6O3 | NEUTRAL | Details |
| B141322 | CHEMBL477772 | Small molecule | PAZOPANIB | 437.53 | C21H23N7O2S | NEUTRAL | Details |
| B141323 | CHEMBL4777756 | -- | -- | 3920.3 | C180H264N38O60 | None | Details |
| B141324 | CHEMBL4777805 | -- | -- | 236.32 | C16H16N2 | NEUTRAL | Details |
| B141325 | CHEMBL4777931 | -- | -- | 487.56 | C28H29N3O5 | ACID | Details |
| B141326 | CHEMBL477801 | Small molecule | -- | 463.5 | C25H28F3NO4 | ACID | Details |
| B141327 | CHEMBL4778131 | -- | -- | 619.02 | C25H26ClF3N4O7S | NEUTRAL | Details |
| B141328 | CHEMBL4778232 | -- | -- | 452.56 | C32H24N2O | NEUTRAL | Details |
| B141329 | CHEMBL4778264 | -- | -- | 440.46 | C25H20N4O4 | ACID | Details |
| B141330 | CHEMBL4778278 | -- | -- | 578.01 | C27H23ClF3N3O4S | ACID | Details |
| B141331 | CHEMBL4778312 | -- | -- | 345.79 | C17H16ClN3O3 | NEUTRAL | Details |
| B141332 | CHEMBL4778358 | -- | -- | 374.41 | C19H18N8O | NEUTRAL | Details |
| B141333 | CHEMBL477855 | Small molecule | -- | 226.23 | C11H14O5 | NEUTRAL | Details |
| B141334 | CHEMBL4778597 | -- | -- | 587.57 | C30H29F4N3O5 | ACID | Details |
| B141335 | CHEMBL4778665 | -- | -- | 623.73 | C36H38FN5O4 | NEUTRAL | Details |
| B141336 | CHEMBL4778725 | -- | -- | 382.39 | C16H16F2N4O3S | NEUTRAL | Details |
| B141337 | CHEMBL4778737 | -- | -- | 286.33 | C17H18O4 | ACID | Details |
| B141338 | CHEMBL4778910 | -- | -- | 594.47 | C27H23Cl2F2N3O4S | ACID | Details |
| B141339 | CHEMBL4778975 | -- | -- | 429.9 | C22H24ClN3O4 | NEUTRAL | Details |
| B141340 | CHEMBL4779059 | -- | -- | 418.93 | C24H23ClN4O | NEUTRAL | Details |
| B141341 | CHEMBL4779277 | -- | -- | 430.83 | C20H21ClF2O6 | NEUTRAL | Details |
| B141342 | CHEMBL4779359 | -- | -- | 553.71 | C36H35N5O | NEUTRAL | Details |
| B141343 | CHEMBL4779378 | -- | -- | 374.44 | C19H26N4O4 | NEUTRAL | Details |
| B141344 | CHEMBL477940 | Small molecule | -- | 359.43 | C22H21N3O2 | ACID | Details |
| B141345 | CHEMBL4779404 | -- | -- | 443.93 | C23H26ClN3O4 | NEUTRAL | Details |
| B141346 | CHEMBL477941 | Small molecule | -- | 358.44 | C23H22N2O2 | ACID | Details |
| B141347 | CHEMBL4779539 | -- | -- | 495.58 | C29H29N5O3 | NEUTRAL | Details |
| B141348 | CHEMBL4779558 | -- | -- | 403.28 | C18H19BrN4O2 | NEUTRAL | Details |
| B141349 | CHEMBL4779606 | -- | -- | 582.44 | C24H22Cl2FN5O5S | NEUTRAL | Details |
| B141350 | CHEMBL4779671 | -- | -- | 423.51 | C24H29N3O4 | NEUTRAL | Details |
| B141351 | CHEMBL4779714 | -- | -- | 420.31 | C18H22BrN5O2 | NEUTRAL | Details |
| B141352 | CHEMBL4779832 | -- | -- | 574.6 | C29H26F4N2O4S | ACID | Details |
| B141353 | CHEMBL4779860 | -- | -- | 317.34 | C18H17F2NO2 | NEUTRAL | Details |
| B141354 | CHEMBL4779978 | -- | -- | 315.85 | C18H22ClN3 | NEUTRAL | Details |
| B141355 | CHEMBL478 | Small molecule | CHLOROPHENYLPIPERAZINE | 196.68 | C10H13ClN2 | BASE | Details |
| B141356 | CHEMBL4780022 | -- | -- | 5186.8 | C242H359N49O77 | None | Details |
| B141357 | CHEMBL4780056 | -- | -- | 279.34 | C15H21NO4 | ACID | Details |
| B141358 | CHEMBL4780091 | -- | -- | 502.62 | C28H34N6O3 | BASE | Details |
| B141359 | CHEMBL4780106 | -- | -- | 413.91 | C22H24ClN3O3 | NEUTRAL | Details |
| B141360 | CHEMBL4780126 | -- | -- | 279.81 | C15H22ClN3 | NEUTRAL | Details |
| B141361 | CHEMBL4780289 | -- | -- | 295.81 | C15H22ClN3O | NEUTRAL | Details |
| B141362 | CHEMBL4780363 | -- | -- | 590.6 | C29H26F4N2O5S | ACID | Details |
| B141363 | CHEMBL4780380 | -- | -- | 405.41 | C22H19N3O5 | ACID | Details |
| B141364 | CHEMBL478048 | Small molecule | -- | 375.43 | C19H25N3O5 | NEUTRAL | Details |
| B141365 | CHEMBL4780573 | -- | -- | 283.78 | C14H19ClFN3 | NEUTRAL | Details |
| B141366 | CHEMBL4780590 | -- | -- | 461.52 | C26H27N3O5 | ACID | Details |
| B141367 | CHEMBL4780607 | -- | -- | 362.4 | C18H18N8O | NEUTRAL | Details |
| B141368 | CHEMBL4780641 | -- | -- | 508.66 | C33H36N2O3 | ZWITTERION | Details |
| B141369 | CHEMBL4780703 | -- | -- | 226.28 | C15H14O2 | NEUTRAL | Details |
| B141370 | CHEMBL4780789 | -- | -- | 5440.03 | C241H350N56O80S4 | None | Details |
| B141371 | CHEMBL478081 | Protein | -- | 500.55 | C22H36N4O9 | ACID | Details |
| B141372 | CHEMBL4780829 | -- | -- | 499.49 | C22H35N3O6P2 | NEUTRAL | Details |
| B141373 | CHEMBL4780875 | -- | -- | 308.81 | C15H21ClN4O | NEUTRAL | Details |
| B141374 | CHEMBL4780902 | -- | -- | 457.96 | C24H28ClN3O4 | NEUTRAL | Details |
| B141375 | CHEMBL4780945 | -- | -- | 240.65 | C10H9ClN2O3 | NEUTRAL | Details |
| B141376 | CHEMBL4781058 | -- | -- | 447.89 | C22H23ClFN3O4 | NEUTRAL | Details |
| B141377 | CHEMBL4781072 | -- | -- | 297.8 | C15H21ClFN3 | NEUTRAL | Details |
| B141378 | CHEMBL478111 | Small molecule | -- | 225.29 | C15H15NO | NEUTRAL | Details |
| B141379 | CHEMBL4781152 | -- | -- | 374.46 | C22H18N2O2S | ACID | Details |
| B141380 | CHEMBL4781153 | -- | -- | 627.63 | C33H33F4N3O5 | ACID | Details |
| B141381 | CHEMBL4781182 | -- | -- | 398.51 | C25H26N4O | NEUTRAL | Details |
| B141382 | CHEMBL4781234 | -- | -- | 355.87 | C17H26ClN3O3 | NEUTRAL | Details |
| B141383 | CHEMBL4781362 | -- | -- | 531.57 | C24H43N3O6P2 | None | Details |
| B141384 | CHEMBL4781408 | -- | -- | 387.49 | C18H17N3O3S2 | ACID | Details |
| B141385 | CHEMBL4781426 | -- | -- | 506.57 | C25H33F3N6O2 | BASE | Details |
| B141386 | CHEMBL4781488 | -- | -- | 378.35 | C18H17F3N4O2 | NEUTRAL | Details |
| B141387 | CHEMBL4781596 | -- | -- | 379.34 | C18H16F3N3O3 | NEUTRAL | Details |
| B141388 | CHEMBL4781604 | -- | -- | 521.66 | C34H35NO4 | ACID | Details |
| B141389 | CHEMBL4781606 | -- | -- | 418.93 | C24H23ClN4O | NEUTRAL | Details |
| B141390 | CHEMBL4781633 | -- | -- | 4926.66 | C217H351N57O69S2 | None | Details |
| B141391 | CHEMBL4782004 | -- | -- | 497.66 | C31H31NO3S | ZWITTERION | Details |
| B141392 | CHEMBL4782020 | -- | -- | 4979.72 | C220H354N58O69S2 | None | Details |
| B141393 | CHEMBL4782071 | -- | -- | 4307.79 | C189H289N47O64S2 | None | Details |
| B141394 | CHEMBL4782254 | -- | -- | 293.84 | C16H24ClN3 | NEUTRAL | Details |
| B141395 | CHEMBL4782453 | -- | -- | 347.49 | C15H13N3OS3 | NEUTRAL | Details |
| B141396 | CHEMBL4782531 | -- | -- | 318.8 | C17H19ClN2O2 | NEUTRAL | Details |
| B141397 | CHEMBL4782540 | -- | -- | 4033.46 | C186H275N39O61 | None | Details |
| B141398 | CHEMBL4782674 | -- | -- | 488.01 | C23H26ClN5O3S | BASE | Details |
| B141399 | CHEMBL4782675 | -- | -- | 4609.26 | C210H320N46O66S2 | None | Details |
| B141400 | CHEMBL4782769 | -- | -- | 4033.46 | C186H275N39O61 | None | Details |